Search found 2 matches
- Wed Jul 06, 2011 4:42 am
- Forum: Link to other codes
- Topic: UPF Pseudopotential
- Replies: 0
- Views: 2883
UPF Pseudopotential
Does ABINIT support UPF pseudopotentials? Based on another forum post I found, it appears that it does. And when I run ABINIT (6.8.1) with a UPF pseudopotential it does not complain. However I'm seeing a strange bug. When I run a calculation on Zn with ecut=20, I get the following error in the outpu...
- Tue Oct 26, 2010 9:19 pm
- Forum: Link to other codes
- Topic: Wannier90 with parallel calculations
- Replies: 1
- Views: 3669
Wannier90 with parallel calculations
When I try running the first Wannier90 tutorial in parallel mode, I do not get any .xsf files as output and the following line is the abinit output: WARNING: mlwfovlp: calling to wannier90 cannot be done in parallel We will skip this call. Afterwards you can run wannier90 in standalone mode. However...